In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 4th, 2008 | 32 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.90 | 6.06 | -22.19 | 1 | 8 | 0 | 110 | 480.608 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.90 | 6.12 | -63.72 | 0 | 8 | -1 | 112 | 479.6 | 6 | ↓ |